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Sodium Ion → 4-[2-(2-Ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purin-8-ylmethyl]-2-isopropyl-3-oxopiperazine-1-carboxylic acid tert-butyl ester

HRID 1149883
Notes
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Reaction equation

HRID 1149883 reaction equation
[Br:20][CH2:21][c:22]1[n:23]([CH3:48])[c:24]2[n:25][c:26](-[n:37]3[c:38]([CH2:46][CH3:47])[n:39][c:40]4[c:41]3[cH:42][cH:43][cH:44][cH:45]4)[n:27][c:28]([N:31]3[CH2:32][CH2:33][O:34][CH2:35][CH2:36]3)[c:29]2[n:30]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH:15]([CH3:16])[CH3:17])[C:10](=[O:14])[NH:11][CH2:12][CH2:13]1.[H-:19].[Na+:18].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH:15]([CH3:16])[CH3:17])[C:10](=[O:14])[N:11]([CH2:21][c:22]2[n:23]([CH3:48])[c:24]3[n:25][c:26](-[n:37]4[c:38]([CH2:46][CH3:47])[n:39][c:40]5[c:41]4[cH:42][cH:43][cH:44][cH:45]5)[n:27][c:28]([N:31]4[CH2:32][CH2:33][O:34][CH2:35][CH2:36]4)[c:29]3[n:30]2)[CH2:12][CH2:13]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 923Sodium IonHCID 6228DimethylformamideHCID 166653HydrideHCID 674922148-bromomethyl-2-(2-ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purineHCID 67492477HCID 67492477, compound

Product 1

HCID 59606035
4-[2-(2-Ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purin-8-ylmethyl]-2-isopropyl-3-oxopiperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-c8e7585e4803405fac0cd9464699f891
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes